SCHEMBL8135149

SCHEMBL8135149

C#CCn1c(-c2ccccc2)nc(C#C)c(CC)c1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
PTBP1 P26599 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM5A P29375 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8678382 0.86 TLR7 (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678693 0.85 TLR7 (0.42) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8137227 0.85 CYP1A2 (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678115 0.82 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8677926 0.82 GCGR (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8140303 0.81 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8677009 0.81 TLR7 (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678688 0.81 KDM5B (0.40) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8678404 0.80 GCGR (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL8677290 0.79 TLR7 (0.43) TLR7ALDH1A1KDM4EHSD17B10L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6054582-A Process for pyrimidinone compounds ROHM AND HAAS COMPANY (US) 2000-04-25 US disclosed
US-6051710-A USEFUL INTERMEDIATES IN THE PREPARATION OF PYRIMIDINONES ROHM AND HAAS COMPANY (US) 2000-04-18 US disclosed
US-5889184-A Process for pyrimidinone compounds PRINCETON UNIVERSITY (US) 1999-03-30 US disclosed
EP-0812832-A1 Improved process for pyrimidinone compounds ROHM AND HAAS COMPANY (US) 1997-12-17 EP disclosed